Geometry & MOs

Info

ID:	267797
PubChem CID:	103589408
Reduced:	BrN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	360.03208
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	8.31
IP(EA), eV:	-9.88(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-2-(propylamino)butanoic acid

Drug info:

PubChemData

Smile

C1CC1NC(COC2=CC(=CC(=C2)[N+](=O)[O-])Br)C(=O)N

DOS

IR

Vibrations